Basic information
- CAS
152265-64-0- Standard SMILES
Oc1ccc(Cl)cc1C1CCCCCC1- InChIKey
JCDSMFJMMFBJEI-UHFFFAOYSA-N- Molecular formula
- C13H17ClO
- Average molar mass
- 224.72 g/mol
- Monoisotopic mass
- 224.0967929
Names & identifiers
- Preferred name
- Phenol, 4-chloro-2-cycloheptyl-
- IUPAC
- 4-chloro-2-cycloheptylphenol
Names & synonyms
4-chloro-2-cycloheptylphenolPhenol, 4-chloro-2-cycloheptyl-152265-64-0SCHEMBL4878435DTXSID60470503JCDSMFJMMFBJEI-UHFFFAOYSA-N
Database identifiers
- CAS
152265-64-0- PubChem CID
- 11680202
- DTXSID
DTXSID60470503
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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